N-[(5-ethylthiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine

C19H27NS — CID 105050309

IUPACN-[(5-ethylthiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CCC)c1)c1ccc(CC)s1
InChIInChI=1S/C19H27NS/c1-4-8-15-9-7-10-16(14-15)19(20-13-5-2)18-12-11-17(6-3)21-18/h7,9-12,14,19-20H,4-6,8,13H2,1-3H3
InChIKeyFBIYCDQMRXSEKN-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.35
Rot. Bonds8

About N-[(5-ethylthiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine

N-[(5-ethylthiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine (PubChem CID 105050309) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine
PubChem CID105050309
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC NameN-[(5-ethylthiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CCC)c1)c1ccc(CC)s1
InChIInChI=1S/C19H27NS/c1-4-8-15-9-7-10-16(14-15)19(20-13-5-2)18-12-11-17(6-3)21-18/h7,9-12,14,19-20H,4-6,8,13H2,1-3H3
InChIKeyFBIYCDQMRXSEKN-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-ethylthiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromothiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 116544380
N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116543927
N-[(3-bromo-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 79746861
N-[(3-chloro-4-iodophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 103220153
N-[(5-ethylthiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 43494287
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
N-[(5-ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 115804512
N-[(3-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 43494301
N-[(2,3-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 43494394
N-[(3-ethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105018529
1-(5-ethylthiophen-2-yl)-2-methyl-N-propylpropan-1-amine
CID 43494310
N-[(3-methyl-2-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116544152

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine (CID 105050309) is N-[(5-ethylthiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine is CCCNC(c1cccc(CCC)c1)c1ccc(CC)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine?
The InChIKey is FBIYCDQMRXSEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-4-8-15-9-7-10-16(14-15)19(20-13-5-2)18-12-11-17(6-3)21-18/h7,9-12,14,19-20H,4-6,8,13H2,1-3H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine?
N-[(5-ethylthiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)-(3-propylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105050309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).